[5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine

C12H15N3OS — CID 54966455

IUPAC[5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine
SMILESCc1nnc(OCc2cccs2)c(CN)c1C
InChIInChI=1S/C12H15N3OS/c1-8-9(2)14-15-12(11(8)6-13)16-7-10-4-3-5-17-10/h3-5H,6-7,13H2,1-2H3
InChIKeyFNJPCTGKWRUDJB-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.19
Rot. Bonds4

About [5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine

[5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine (PubChem CID 54966455) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is [5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine
PubChem CID54966455
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name[5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine
SMILESCc1nnc(OCc2cccs2)c(CN)c1C
InChIInChI=1S/C12H15N3OS/c1-8-9(2)14-15-12(11(8)6-13)16-7-10-4-3-5-17-10/h3-5H,6-7,13H2,1-2H3
InChIKeyFNJPCTGKWRUDJB-UHFFFAOYSA-N
XLogP2.19
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine (CID 54966455) is [5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine is Cc1nnc(OCc2cccs2)c(CN)c1C.
What is the InChIKey of [5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine?
The InChIKey is FNJPCTGKWRUDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-9(2)14-15-12(11(8)6-13)16-7-10-4-3-5-17-10/h3-5H,6-7,13H2,1-2H3.
What are the key properties of [5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine?
[5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine has a molecular weight of 249.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 54966455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).